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Chemical ID: 6347629
Chemical ID:
6347629
Name [?]:
N-(4,5-dimethylthiazol-2-yl)-2-(2-naphthyloxy)acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)COc2ccc3ccccc3c2)C
InChi [?]:
InChI=1/C17H16N2O2S/c1-11-12(2)22-17(18-11)19-16(20)10-21-15-8-7-13-5-3-4-6-14(13)9-15/h3-9H,10H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,22,17,18,16,19,14,13,21,10,2,3,15,20,12,8,5,6,7,9,11,4/rA:22nCCCSCNNCOCOCCCCCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16N2O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.98073 |
Area: | 517.923 |
Solvation: | -4.96734 |
Coulombic: | -33.1631 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.387 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.91 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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